SCHEMBL16715932

SCHEMBL16715932

C/N=C(/c1ccc(C(=O)ONS)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 1/20 0.35
MLYCD O95822 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 3/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10150741 0.77 GAA (0.50) ALDH1A1GAAALOX15HSD17B10MLYCD
SCHEMBL17865302 0.74 HDAC6 (0.42) ALDH1A1GAAALOX15HSD17B10TDP1
SCHEMBL14620660 0.71 TRPV1 (0.37) ALDH1A1NOTUMCA1CA2KMT2A
SCHEMBL12994634 0.71 HPGD (0.42) ALDH1A1GAAALOX15HSD17B10KMT2A
SCHEMBL10239161 0.71 HPGD (0.42) ALDH1A1GAAALOX15HSD17B10KMT2A
SCHEMBL13073462 0.70 ALDH1A1 (0.54) ALDH1A1GAAALOX15HSD17B10NOTUM
SCHEMBL19331705 0.70 ALDH1A1 (0.54) ALDH1A1GAAALOX15HSD17B10NOTUM
SCHEMBL10138310 0.69 ALDH1A1 (0.47) ALDH1A1GAAALOX15HSD17B10CA1
SCHEMBL10233426 0.69 ALDH1A1 (0.47) ALDH1A1GAAALOX15HSD17B10CA1
SCHEMBL19249143 0.69 ALDH1A1 (0.53) ALDH1A1GAATDP1KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed